1-butan-2-ylsulfinyl-3-methoxypropan-2-amine

C8H19NO2S — CID 107508747

IUPAC1-butan-2-ylsulfinyl-3-methoxypropan-2-amine
SMILESCCC(C)S(=O)CC(N)COC
InChIInChI=1S/C8H19NO2S/c1-4-7(2)12(10)6-8(9)5-11-3/h7-8H,4-6,9H2,1-3H3
InChIKeyZOINFNXXOJCOQY-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.51
Rot. Bonds6

About 1-butan-2-ylsulfinyl-3-methoxypropan-2-amine

1-butan-2-ylsulfinyl-3-methoxypropan-2-amine (PubChem CID 107508747) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 1-butan-2-ylsulfinyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfinyl-3-methoxypropan-2-amine
PubChem CID107508747
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name1-butan-2-ylsulfinyl-3-methoxypropan-2-amine
SMILESCCC(C)S(=O)CC(N)COC
InChIInChI=1S/C8H19NO2S/c1-4-7(2)12(10)6-8(9)5-11-3/h7-8H,4-6,9H2,1-3H3
InChIKeyZOINFNXXOJCOQY-UHFFFAOYSA-N
XLogP0.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butylsulfinyl-3-methoxypropan-2-amine
CID 107508808
1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine
CID 107760473
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
3-(methoxymethyl)pentan-2-amine
CID 66437856
6-butan-2-ylsulfinylhexan-3-amine
CID 106807943
1-N-butan-2-yl-3-methoxy-1-N-methylpropane-1,2-diamine
CID 63761505
4-ethoxy-1-methoxybutan-2-amine
CID 115601761
1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine
CID 107508732
1-methoxy-3-thiophen-2-ylsulfinylpropan-2-amine
CID 107508763
1-(4-methoxybutylsulfinyl)butan-2-amine
CID 104651021
(2S)-1-fluoro-3-methoxypropan-2-amine
CID 22789989

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfinyl-3-methoxypropan-2-amine?
The IUPAC name of 1-butan-2-ylsulfinyl-3-methoxypropan-2-amine (CID 107508747) is 1-butan-2-ylsulfinyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfinyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfinyl-3-methoxypropan-2-amine is CCC(C)S(=O)CC(N)COC.
What is the InChIKey of 1-butan-2-ylsulfinyl-3-methoxypropan-2-amine?
The InChIKey is ZOINFNXXOJCOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-4-7(2)12(10)6-8(9)5-11-3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 1-butan-2-ylsulfinyl-3-methoxypropan-2-amine?
1-butan-2-ylsulfinyl-3-methoxypropan-2-amine has a molecular weight of 193.31 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfinyl-3-methoxypropan-2-amine is sourced from PubChem (CID 107508747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).